PZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C30 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C24 | sing | 1.51Å | 1.54Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| O4 | S2 | doub | 1.42Å | 1.42Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | N2 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| O3 | S2 | doub | 1.42Å | 1.42Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| S2 | N2 | sing | 1.66Å | 1.64Å | |
| S2 | N1 | sing | 1.66Å | 1.63Å | |
| N2 | C16 | sing | 1.47Å | 1.47Å | |
| C18 | N3 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| N3 | C20 | sing | 1.47Å | 1.47Å | |
| N3 | C17 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| N1 | C3 | sing | 1.39Å | 1.39Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C15 | doub | 1.21Å | 1.24Å | |
| C2 | C15 | sing | 1.47Å | 1.52Å | |
| C2 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | O1 | sing | 1.35Å | 1.25Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | S1 | sing | 1.76Å | 1.76Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| S1 | C7 | sing | 1.81Å | 1.81Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C30 | 108.4° | 109.5° |
| C28 | C27 | C29 | 107.9° | 109.5° |
| C28 | C27 | C24 | 110.5° | 109.5° |
| C27 | C28 | H17 | 109.5° | 109.5° |
| C27 | C28 | H18 | 109.5° | 109.5° |
| C27 | C28 | H19 | 109.4° | 109.4° |
| C30 | C27 | C29 | 107.5° | 109.4° |
| C30 | C27 | C24 | 110.9° | 109.5° |
| C27 | C30 | H36 | 109.5° | 109.4° |
| C27 | C30 | H37 | 109.5° | 109.5° |
| C27 | C30 | H38 | 109.5° | 109.4° |
| C29 | C27 | C24 | 111.5° | 109.4° |
| C27 | C29 | H33 | 109.5° | 109.5° |
| C27 | C29 | H34 | 109.5° | 109.5° |
| C27 | C29 | H35 | 109.5° | 109.5° |
| C27 | C24 | C23 | 121.6° | 120.0° |
| C27 | C24 | C25 | 121.9° | 120.0° |
| C24 | C23 | C22 | 121.9° | 120.0° |
| C23 | C24 | C25 | 116.5° | 120.0° |
| C24 | C23 | H31 | 119.0° | 120.0° |
| C23 | C22 | C21 | 120.6° | 120.0° |
| C23 | C22 | H15 | 119.7° | 120.0° |
| C22 | C23 | H31 | 119.0° | 120.0° |
| O4 | S2 | O3 | 119.9° | 123.1° |
| O4 | S2 | N2 | 107.4° | 106.4° |
| O4 | S2 | N1 | 107.6° | 106.4° |
| C24 | C25 | C26 | 121.9° | 120.0° |
| C24 | C25 | H32 | 119.0° | 120.0° |
| N2 | C19 | C18 | 108.5° | 108.5° |
| C19 | N2 | S2 | 121.6° | 120.9° |
| C19 | N2 | C16 | 114.6° | 118.2° |
| N2 | C19 | H29 | 109.7° | 109.6° |
| N2 | C19 | H30 | 109.7° | 109.6° |
| C19 | C18 | N3 | 109.9° | 109.3° |
| C19 | C18 | H27 | 109.3° | 109.5° |
| C19 | C18 | H28 | 109.4° | 109.5° |
| C18 | C19 | H29 | 109.7° | 109.6° |
| C18 | C19 | H30 | 109.7° | 109.7° |
| O3 | S2 | N2 | 107.5° | 106.4° |
| O3 | S2 | N1 | 106.8° | 106.4° |
| C22 | C21 | C26 | 118.4° | 120.0° |
| C22 | C21 | C20 | 121.1° | 120.0° |
| C21 | C22 | H15 | 119.7° | 120.0° |
| N2 | S2 | N1 | 107.0° | 107.2° |
| S2 | N2 | C16 | 120.9° | 120.9° |
| S2 | N1 | C3 | 124.9° | 120.0° |
| S2 | N1 | H1 | 105.5° | 120.0° |
| N2 | C16 | C17 | 109.0° | 108.5° |
| N2 | C16 | H25 | 109.6° | 109.6° |
| N2 | C16 | H26 | 109.6° | 109.6° |
| C18 | N3 | C20 | 111.6° | 111.0° |
| C18 | N3 | C17 | 110.2° | 111.2° |
| N3 | C18 | H27 | 109.4° | 109.5° |
| N3 | C18 | H28 | 109.4° | 109.5° |
| C25 | C26 | C21 | 120.6° | 120.0° |
| C25 | C26 | H16 | 119.7° | 120.0° |
| C26 | C25 | H32 | 119.0° | 120.0° |
| C26 | C21 | C20 | 120.5° | 120.0° |
| C21 | C26 | H16 | 119.7° | 120.0° |
| C21 | C20 | N3 | 113.8° | 109.5° |
| C21 | C20 | H13 | 108.4° | 109.5° |
| C21 | C20 | H14 | 108.3° | 109.5° |
| C20 | N3 | C17 | 111.1° | 111.0° |
| N3 | C20 | H13 | 108.4° | 109.5° |
| N3 | C20 | H14 | 108.4° | 109.4° |
| N3 | C17 | C16 | 110.2° | 109.4° |
| N3 | C17 | H11 | 109.3° | 109.5° |
| N3 | C17 | H12 | 109.3° | 109.6° |
| C16 | C17 | H11 | 109.3° | 109.5° |
| C16 | C17 | H12 | 109.3° | 109.5° |
| C17 | C16 | H25 | 109.6° | 109.7° |
| C17 | C16 | H26 | 109.6° | 109.7° |
| N1 | C3 | C4 | 119.5° | 120.1° |
| N1 | C3 | C2 | 120.4° | 120.1° |
| C3 | N1 | H1 | 105.5° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.2° |
| C4 | C3 | C2 | 120.0° | 119.7° |
| C3 | C4 | H3 | 119.7° | 119.9° |
| C4 | C5 | C6 | 120.5° | 120.4° |
| C5 | C4 | H3 | 119.7° | 119.9° |
| C4 | C5 | H4 | 119.8° | 119.8° |
| C3 | C2 | C15 | 123.1° | 120.1° |
| C3 | C2 | C1 | 118.4° | 119.7° |
| C5 | C6 | C1 | 119.3° | 120.2° |
| C5 | C6 | S1 | 119.2° | 119.9° |
| C6 | C5 | H4 | 119.7° | 119.9° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C13 | C14 | C9 | 120.8° | 120.0° |
| C14 | C13 | H10 | 119.9° | 120.0° |
| C13 | C14 | H23 | 119.6° | 120.0° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C12 | C13 | H10 | 120.0° | 120.0° |
| C13 | C12 | H22 | 120.1° | 120.0° |
| C14 | C9 | C8 | 120.4° | 120.0° |
| C14 | C9 | C10 | 118.3° | 120.0° |
| C9 | C14 | H23 | 119.6° | 120.0° |
| O2 | C15 | C2 | 118.3° | 120.0° |
| O2 | C15 | O1 | 123.8° | 120.0° |
| C15 | C2 | C1 | 118.5° | 120.2° |
| C2 | C15 | O1 | 117.9° | 120.0° |
| C2 | C1 | C6 | 121.2° | 119.8° |
| C2 | C1 | H20 | 119.4° | 120.1° |
| C15 | O1 | H24 | 109.5° | 116.9° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C12 | C11 | H21 | 119.9° | 120.0° |
| C11 | C12 | H22 | 120.1° | 120.0° |
| C8 | C9 | C10 | 121.2° | 120.0° |
| C9 | C8 | C7 | 115.3° | 109.5° |
| C9 | C8 | H7 | 108.0° | 109.5° |
| C9 | C8 | H8 | 108.0° | 109.5° |
| C9 | C10 | C11 | 120.8° | 120.0° |
| C9 | C10 | H9 | 119.6° | 119.9° |
| C1 | C6 | S1 | 121.5° | 119.9° |
| C6 | C1 | H20 | 119.4° | 120.1° |
| C6 | S1 | C7 | 103.7° | 103.0° |
| C8 | C7 | S1 | 114.1° | 109.5° |
| C8 | C7 | H5 | 108.3° | 109.4° |
| C8 | C7 | H6 | 108.3° | 109.5° |
| C7 | C8 | H7 | 108.0° | 109.5° |
| C7 | C8 | H8 | 108.0° | 109.4° |
| C11 | C10 | H9 | 119.6° | 120.1° |
| C10 | C11 | H21 | 120.0° | 120.0° |
| S1 | C7 | H5 | 108.3° | 109.5° |
| S1 | C7 | H6 | 108.3° | 109.5° |
| H5 | C7 | H6 | 109.4° | 109.4° |
| H7 | C8 | H8 | 109.4° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 109.4° |
| H17 | C28 | H18 | 109.4° | 109.5° |
| H17 | C28 | H19 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.7° |
| H27 | C18 | H28 | 109.4° | 109.6° |
| H29 | C19 | H30 | 109.5° | 109.8° |
| H33 | C29 | H34 | 109.4° | 109.5° |
| H33 | C29 | H35 | 109.5° | 109.4° |
| H34 | C29 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H36 | C30 | H38 | 109.4° | 109.5° |
| H37 | C30 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C30 | C29 | 116.4° | 120.0° |
| C28 | C27 | C30 | C24 | 121.4° | 120.0° |
| C28 | C27 | C29 | C24 | 121.5° | 120.0° |
| C28 | C27 | C24 | C23 | 72.9° | 119.5° |
| C28 | C27 | C24 | C25 | 104.5° | 60.0° |
| C27 | C28 | H17 | H18 | 120.0° | 120.0° |
| C27 | C28 | H17 | H19 | 120.0° | 120.0° |
| C27 | C28 | H18 | H19 | 120.0° | 120.0° |
| C28 | C27 | C29 | H33 | 180.0° | 60.0° |
| C28 | C27 | C29 | H34 | 60.0° | 180.0° |
| C28 | C27 | C29 | H35 | 60.0° | 59.9° |
| C28 | C27 | C30 | H36 | 180.0° | 60.0° |
| C28 | C27 | C30 | H37 | 60.0° | 180.0° |
| C28 | C27 | C30 | H38 | 60.0° | 60.0° |
| C30 | C27 | C29 | C24 | 121.8° | 120.0° |
| C30 | C27 | C24 | C23 | 47.3° | 120.5° |
| C30 | C27 | C24 | C25 | 135.3° | 60.0° |
| C30 | C27 | C28 | H17 | 180.0° | 60.0° |
| C30 | C27 | C28 | H18 | 60.0° | 60.0° |
| C30 | C27 | C28 | H19 | 60.0° | 180.0° |
| C30 | C27 | C29 | H33 | 63.2° | 180.0° |
| C30 | C27 | C29 | H34 | 56.7° | 60.0° |
| C30 | C27 | C29 | H35 | 176.7° | 60.1° |
| C27 | C30 | H36 | H37 | 120.0° | 120.0° |
| C27 | C30 | H36 | H38 | 120.0° | 119.9° |
| C27 | C30 | H37 | H38 | 120.0° | 120.0° |
| C29 | C27 | C24 | C23 | 167.1° | 0.5° |
| C29 | C27 | C24 | C25 | 15.5° | 180.0° |
| C29 | C27 | C28 | H17 | 63.8° | 60.0° |
| C29 | C27 | C28 | H18 | 56.1° | 180.0° |
| C29 | C27 | C28 | H19 | 176.1° | 60.0° |
| C27 | C29 | H33 | H34 | 120.0° | 120.1° |
| C27 | C29 | H33 | H35 | 120.0° | 120.0° |
| C27 | C29 | H34 | H35 | 120.0° | 120.0° |
| C29 | C27 | C30 | H36 | 63.6° | 60.0° |
| C29 | C27 | C30 | H37 | 176.4° | 60.0° |
| C29 | C27 | C30 | H38 | 56.4° | 180.0° |
| C27 | C24 | C23 | C25 | 177.6° | 179.5° |
| C27 | C24 | C23 | C22 | 179.9° | 179.8° |
| C27 | C24 | C25 | C26 | 179.5° | 180.0° |
| C24 | C27 | C28 | H17 | 58.3° | 180.0° |
| C24 | C27 | C28 | H18 | 178.3° | 60.0° |
| C24 | C27 | C28 | H19 | 61.7° | 60.0° |
| C27 | C24 | C23 | H31 | 0.2° | 0.5° |
| C27 | C24 | C25 | H32 | 0.5° | 0.5° |
| C24 | C27 | C29 | H33 | 58.5° | 60.0° |
| C24 | C27 | C29 | H34 | 178.5° | 60.0° |
| C24 | C27 | C29 | H35 | 61.5° | 180.0° |
| C24 | C27 | C30 | H36 | 58.6° | 180.0° |
| C24 | C27 | C30 | H37 | 61.5° | 60.0° |
| C24 | C27 | C30 | H38 | 178.6° | 60.0° |
| C24 | C23 | C22 | H31 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 2.1° | 0.0° |
| C23 | C24 | C25 | C26 | 1.9° | 0.5° |
| C24 | C23 | C22 | H15 | 177.9° | 180.0° |
| C23 | C24 | C25 | H32 | 178.1° | 180.0° |
| C22 | C23 | C24 | C25 | 2.6° | 0.2° |
| C23 | C22 | C21 | H15 | 180.0° | 179.9° |
| C23 | C22 | C21 | C26 | 0.8° | 0.1° |
| C23 | C22 | C21 | C20 | 179.7° | 179.8° |
| O4 | S2 | N2 | C19 | 18.3° | 23.6° |
| O4 | S2 | O3 | N2 | 122.9° | 122.9° |
| O4 | S2 | O3 | N1 | 122.6° | 122.9° |
| O4 | S2 | N2 | N1 | 115.3° | 113.5° |
| O4 | S2 | N2 | C16 | 178.2° | 156.5° |
| O4 | S2 | N1 | C3 | 78.9° | 53.5° |
| O4 | S2 | N1 | H1 | 43.2° | 126.8° |
| C24 | C25 | C26 | H32 | 180.0° | 179.5° |
| C24 | C25 | C26 | C21 | 0.8° | 0.5° |
| C24 | C25 | C26 | H16 | 179.2° | 179.5° |
| C25 | C24 | C23 | H31 | 177.4° | 180.0° |
| N2 | C19 | C18 | H29 | 119.9° | 119.7° |
| N2 | C19 | C18 | H30 | 119.9° | 119.7° |
| C19 | N2 | S2 | O3 | 112.0° | 156.5° |
| C19 | N2 | S2 | C16 | 159.9° | 180.0° |
| C19 | N2 | S2 | N1 | 133.6° | 90.0° |
| N2 | C19 | C18 | N3 | 57.1° | 53.8° |
| C19 | N2 | C16 | C17 | 54.1° | 51.1° |
| C19 | N2 | C16 | H25 | 174.0° | 68.6° |
| C19 | N2 | C16 | H26 | 65.8° | 170.9° |
| N2 | C19 | C18 | H27 | 177.2° | 66.1° |
| N2 | C19 | C18 | H28 | 63.0° | 173.7° |
| N2 | C19 | H29 | H30 | 120.5° | 120.5° |
| C18 | C19 | N2 | S2 | 144.1° | 128.8° |
| C18 | C19 | N2 | C16 | 54.9° | 51.1° |
| C19 | C18 | N3 | H27 | 120.1° | 120.0° |
| C19 | C18 | N3 | H28 | 120.1° | 119.9° |
| C19 | C18 | N3 | C20 | 173.9° | 172.7° |
| C19 | C18 | N3 | C17 | 62.1° | 63.1° |
| C19 | C18 | H27 | H28 | 119.8° | 120.1° |
| C18 | C19 | H29 | H30 | 120.4° | 120.5° |
| O3 | S2 | N2 | N1 | 114.4° | 113.6° |
| O3 | S2 | N2 | C16 | 47.9° | 23.6° |
| O3 | S2 | N1 | C3 | 151.1° | 173.6° |
| O3 | S2 | N1 | H1 | 86.9° | 6.1° |
| C22 | C21 | C26 | C25 | 0.1° | 0.3° |
| C22 | C21 | C26 | C20 | 179.5° | 179.7° |
| C22 | C21 | C20 | N3 | 23.3° | 89.7° |
| C22 | C21 | C20 | H13 | 97.3° | 150.3° |
| C22 | C21 | C20 | H14 | 144.0° | 30.3° |
| C22 | C21 | C26 | H16 | 179.8° | 179.7° |
| C21 | C22 | C23 | H31 | 177.9° | 179.8° |
| S2 | N2 | C16 | C17 | 144.7° | 128.8° |
| N2 | S2 | N1 | C3 | 36.2° | 60.0° |
| N2 | S2 | N1 | H1 | 158.3° | 119.6° |
| S2 | N2 | C16 | H25 | 24.7° | 111.4° |
| S2 | N2 | C16 | H26 | 95.4° | 9.0° |
| S2 | N2 | C19 | H29 | 96.1° | 111.5° |
| S2 | N2 | C19 | H30 | 24.2° | 9.1° |
| N1 | S2 | N2 | C16 | 66.5° | 90.0° |
| S2 | N1 | C3 | H1 | 122.1° | 179.6° |
| S2 | N1 | C3 | C4 | 55.7° | 35.7° |
| S2 | N1 | C3 | C2 | 123.8° | 144.2° |
| N2 | C16 | C17 | N3 | 55.5° | 53.9° |
| N2 | C16 | C17 | H25 | 119.9° | 119.7° |
| N2 | C16 | C17 | H26 | 119.9° | 119.7° |
| N2 | C16 | C17 | H11 | 175.6° | 173.8° |
| N2 | C16 | C17 | H12 | 64.6° | 66.2° |
| N2 | C16 | H25 | H26 | 120.3° | 120.4° |
| C16 | N2 | C19 | H29 | 65.0° | 68.5° |
| C16 | N2 | C19 | H30 | 174.7° | 170.9° |
| C18 | N3 | C20 | C21 | 87.1° | 65.7° |
| C18 | N3 | C20 | C17 | 123.5° | 124.3° |
| C18 | N3 | C17 | C16 | 61.2° | 63.2° |
| C18 | N3 | C17 | H11 | 178.7° | 176.9° |
| C18 | N3 | C17 | H12 | 58.9° | 56.9° |
| C18 | N3 | C20 | H13 | 152.3° | 54.3° |
| C18 | N3 | C20 | H14 | 33.5° | 174.2° |
| N3 | C18 | H27 | H28 | 119.8° | 120.1° |
| N3 | C18 | C19 | H29 | 62.7° | 65.8° |
| N3 | C18 | C19 | H30 | 177.0° | 173.6° |
| C25 | C26 | C21 | H16 | 180.0° | 180.0° |
| C25 | C26 | C21 | C20 | 179.6° | 180.0° |
| C26 | C21 | C20 | N3 | 157.2° | 90.0° |
| C26 | C21 | C20 | H13 | 82.2° | 30.0° |
| C26 | C21 | C20 | H14 | 36.5° | 150.0° |
| C26 | C21 | C22 | H15 | 179.2° | 180.0° |
| C21 | C26 | C25 | H32 | 179.2° | 180.0° |
| C21 | C20 | N3 | H13 | 120.6° | 120.0° |
| C21 | C20 | N3 | H14 | 120.6° | 120.0° |
| C21 | C20 | N3 | C17 | 149.4° | 170.0° |
| C21 | C20 | H13 | H14 | 118.0° | 120.1° |
| C20 | C21 | C22 | H15 | 0.3° | 0.3° |
| C20 | C21 | C26 | H16 | 0.3° | 0.0° |
| C20 | N3 | C17 | C16 | 174.6° | 172.7° |
| C20 | N3 | C17 | H11 | 54.4° | 52.8° |
| C20 | N3 | C17 | H12 | 65.3° | 67.2° |
| N3 | C20 | H13 | H14 | 118.0° | 119.9° |
| C20 | N3 | C18 | H27 | 53.8° | 67.3° |
| C20 | N3 | C18 | H28 | 66.0° | 52.8° |
| N3 | C17 | C16 | H11 | 120.1° | 120.0° |
| N3 | C17 | C16 | H12 | 120.1° | 120.1° |
| N3 | C17 | H11 | H12 | 119.6° | 120.1° |
| C17 | N3 | C20 | H13 | 28.8° | 69.9° |
| C17 | N3 | C20 | H14 | 89.9° | 50.0° |
| N3 | C17 | C16 | H25 | 175.4° | 65.8° |
| N3 | C17 | C16 | H26 | 64.4° | 173.6° |
| C17 | N3 | C18 | H27 | 177.8° | 56.8° |
| C17 | N3 | C18 | H28 | 58.0° | 176.9° |
| C16 | C17 | H11 | H12 | 119.7° | 120.0° |
| C17 | C16 | H25 | H26 | 120.2° | 120.5° |
| N1 | C3 | C4 | C2 | 179.5° | 179.9° |
| N1 | C3 | C4 | C5 | 179.6° | 180.0° |
| N1 | C3 | C2 | C15 | 1.0° | 0.0° |
| N1 | C3 | C2 | C1 | 179.9° | 180.0° |
| N1 | C3 | C4 | H3 | 0.3° | 0.3° |
| C3 | C4 | C5 | H3 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | C15 | 179.4° | 179.9° |
| C4 | C3 | C2 | C1 | 0.5° | 0.1° |
| C4 | C3 | N1 | H1 | 66.4° | 144.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.0° |
| C4 | C5 | C6 | S1 | 179.9° | 180.0° |
| C3 | C2 | C15 | O2 | 28.3° | 0.0° |
| C3 | C2 | C15 | C1 | 178.9° | 180.0° |
| C3 | C2 | C15 | O1 | 153.3° | 180.0° |
| C3 | C2 | C1 | C6 | 1.0° | 0.0° |
| C2 | C3 | N1 | H1 | 114.1° | 35.4° |
| C2 | C3 | C4 | H3 | 179.9° | 179.7° |
| C3 | C2 | C1 | H20 | 179.0° | 180.0° |
| C5 | C6 | C1 | C2 | 1.0° | 0.0° |
| C5 | C6 | C1 | S1 | 179.6° | 179.9° |
| C5 | C6 | S1 | C7 | 103.6° | 0.0° |
| C6 | C5 | C4 | H3 | 179.9° | 179.7° |
| C5 | C6 | C1 | H20 | 179.0° | 179.9° |
| C14 | C13 | C12 | H10 | 180.0° | 179.7° |
| C13 | C14 | C9 | H23 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.4° | 0.3° |
| C13 | C14 | C9 | C8 | 179.1° | 180.0° |
| C13 | C14 | C9 | C10 | 1.5° | 0.0° |
| C14 | C13 | C12 | H22 | 179.6° | 180.0° |
| C12 | C13 | C14 | C9 | 0.3° | 0.3° |
| C13 | C12 | C11 | H22 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | H21 | 179.9° | 179.9° |
| C12 | C13 | C14 | H23 | 179.7° | 180.0° |
| C14 | C9 | C8 | C10 | 177.5° | 180.0° |
| C14 | C9 | C8 | C7 | 131.2° | 90.0° |
| C14 | C9 | C10 | C11 | 2.0° | 0.3° |
| C14 | C9 | C8 | H7 | 10.3° | 150.0° |
| C14 | C9 | C8 | H8 | 107.9° | 30.0° |
| C14 | C9 | C10 | H9 | 178.1° | 180.0° |
| C9 | C14 | C13 | H10 | 179.7° | 180.0° |
| O2 | C15 | C2 | O1 | 178.4° | 180.0° |
| O2 | C15 | C2 | C1 | 150.6° | 180.0° |
| O2 | C15 | O1 | H24 | 0.0° | 0.0° |
| C15 | C2 | C1 | C6 | 179.9° | 180.0° |
| C15 | C2 | C1 | H20 | 0.0° | 0.0° |
| C2 | C15 | O1 | H24 | 178.3° | 180.0° |
| C1 | C2 | C15 | O1 | 27.8° | 0.0° |
| C2 | C1 | C6 | H20 | 180.0° | 180.0° |
| C2 | C1 | C6 | S1 | 179.4° | 180.0° |
| C12 | C11 | C10 | C9 | 1.3° | 0.3° |
| C12 | C11 | C10 | H21 | 180.0° | 180.0° |
| C12 | C11 | C10 | H9 | 178.7° | 180.0° |
| C11 | C12 | C13 | H10 | 179.6° | 180.0° |
| C9 | C8 | C7 | H7 | 120.9° | 120.1° |
| C9 | C8 | C7 | H8 | 120.9° | 120.0° |
| C8 | C9 | C10 | C11 | 179.5° | 179.7° |
| C9 | C8 | C7 | S1 | 105.5° | 180.0° |
| C9 | C8 | C7 | H5 | 133.8° | 60.0° |
| C9 | C8 | C7 | H6 | 15.2° | 60.0° |
| C9 | C8 | H7 | H8 | 117.3° | 120.0° |
| C8 | C9 | C10 | H9 | 0.5° | 0.0° |
| C8 | C9 | C14 | H23 | 0.9° | 0.3° |
| C10 | C9 | C8 | C7 | 51.3° | 90.0° |
| C9 | C10 | C11 | H9 | 180.0° | 179.7° |
| C10 | C9 | C8 | H7 | 172.2° | 30.0° |
| C10 | C9 | C8 | H8 | 69.6° | 150.0° |
| C9 | C10 | C11 | H21 | 178.7° | 179.7° |
| C10 | C9 | C14 | H23 | 178.5° | 179.7° |
| C1 | C6 | S1 | C7 | 76.8° | 180.0° |
| C1 | C6 | C5 | H4 | 179.5° | 180.0° |
| C6 | S1 | C7 | C8 | 58.5° | 180.0° |
| S1 | C6 | C5 | H4 | 0.1° | 0.1° |
| C6 | S1 | C7 | H5 | 62.2° | 60.0° |
| C6 | S1 | C7 | H6 | 179.2° | 60.0° |
| S1 | C6 | C1 | H20 | 0.6° | 0.0° |
| C8 | C7 | S1 | H5 | 120.7° | 120.0° |
| C8 | C7 | S1 | H6 | 120.7° | 120.0° |
| C8 | C7 | H5 | H6 | 117.9° | 119.9° |
| C7 | C8 | H7 | H8 | 117.4° | 119.9° |
| C10 | C11 | C12 | H22 | 179.9° | 179.7° |
| S1 | C7 | H5 | H6 | 117.9° | 120.0° |
| S1 | C7 | C8 | H7 | 15.4° | 59.9° |
| S1 | C7 | C8 | H8 | 133.6° | 60.0° |
| H3 | C4 | C5 | H4 | 0.1° | 0.3° |
| H5 | C7 | C8 | H7 | 105.4° | 60.1° |
| H5 | C7 | C8 | H8 | 12.9° | 180.0° |
| H6 | C7 | C8 | H7 | 136.0° | 180.0° |
| H6 | C7 | C8 | H8 | 105.7° | 60.1° |
| H9 | C10 | C11 | H21 | 1.3° | 0.0° |
| H10 | C13 | C12 | H22 | 0.4° | 0.3° |
| H10 | C13 | C14 | H23 | 0.4° | 0.3° |
| H11 | C17 | C16 | H25 | 64.5° | 54.1° |
| H11 | C17 | C16 | H26 | 55.6° | 66.4° |
| H12 | C17 | C16 | H25 | 55.3° | 174.1° |
| H12 | C17 | C16 | H26 | 175.5° | 53.5° |
| H15 | C22 | C23 | H31 | 2.1° | 0.3° |
| H16 | C26 | C25 | H32 | 0.8° | 0.0° |
| H17 | C28 | H18 | H19 | 120.0° | 120.0° |
| H21 | C11 | C12 | H22 | 0.1° | 0.3° |
| H27 | C18 | C19 | H29 | 57.4° | 174.2° |
| H27 | C18 | C19 | H30 | 62.9° | 53.6° |
| H28 | C18 | C19 | H29 | 177.2° | 54.1° |
| H28 | C18 | C19 | H30 | 56.9° | 66.5° |
| H33 | C29 | H34 | H35 | 120.0° | 119.9° |
| H36 | C30 | H37 | H38 | 120.0° | 120.1° |
